#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxl s ASP 2 N 0.00 3.01 -1.21 6.12 1.11 -1.26 -4.78 116.67 119.66 1mxl s ASP 2 Ca 0.00 -1.41 -0.03 0.00 0.18 0.00 0.00 52.55 51.28 1mxl s ASP 2 Cb 0.00 -0.11 0.00 0.00 1.07 0.00 0.00 42.92 43.89 1mxl s ASP 2 CO 0.00 -0.59 0.43 -0.67 1.18 0.00 0.00 175.17 175.52 1mxl n ASP 3 N -0.86 -5.04 -0.01 0.27 -0.08 -1.26 -4.89 116.55 104.68 1mxl n ASP 3 Ca -0.04 -0.20 -0.02 0.00 -1.51 0.00 0.00 54.79 53.01 1mxl n ASP 3 Cb 0.67 -3.91 -0.01 0.00 2.34 0.00 0.00 41.12 40.20 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1mxl n ILE 4 N -4.20 0.12 -0.05 5.18 5.41 -1.26 -4.72 119.36 119.83 1mxl n ILE 4 Ca -0.10 -0.03 -0.17 0.00 1.00 0.00 0.00 62.75 63.46 1mxl n ILE 4 Cb 0.60 -1.36 -0.13 0.00 -0.71 0.00 0.00 39.64 38.04 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1mxl h TYR 5 N -0.06 0.11 -1.05 1.39 0.05 -1.94 -3.29 116.97 112.19 1mxl h TYR 5 Ca -0.05 -0.08 0.30 0.00 0.05 0.00 0.00 58.73 58.95 1mxl h TYR 5 Cb 1.05 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.74 1mxl h TYR 5 CO -0.01 1.16 1.02 1.57 -1.05 0.00 0.00 178.16 180.86 1mxl h LYS 6 N -0.86 0.00 -0.22 4.88 2.10 -1.98 0.78 116.57 121.27 1mxl h LYS 6 Ca -0.10 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.36 1mxl h LYS 6 Cb 1.20 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1mxl h LYS 6 CO -0.01 0.00 -0.63 0.00 -2.00 0.00 0.00 179.45 176.81 1mxl h ALA 7 N 0.95 0.37 0.00 0.07 0.00 -1.84 -2.86 119.26 115.95 1mxl h ALA 7 Ca 0.50 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1mxl h ALA 7 Cb 2.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1mxl h ALA 7 CO -0.01 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1mxl n ALA 8 N -2.58 1.26 -0.05 0.00 0.00 0.27 -2.67 120.51 116.74 1mxl n ALA 8 Ca -0.06 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1mxl n ALA 8 Cb 0.67 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 1mxl n ALA 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mxl h VAL 9 N 0.00 1.32 -0.04 0.00 2.07 -1.40 -3.24 116.25 114.96 1mxl h VAL 9 Ca 0.00 -1.92 0.01 0.00 0.82 0.00 0.00 66.70 65.61 1mxl h VAL 9 Cb 0.13 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1mxl h VAL 9 CO 0.00 0.44 0.47 -0.33 0.02 0.00 0.00 177.57 178.17 1mxl h GLU 10 N -0.97 0.00 -0.72 1.57 4.39 -1.53 0.62 114.58 117.94 1mxl h GLU 10 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1mxl h GLU 10 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1mxl h GLU 10 CO 0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 1mxl n GLN 11 N -2.86 2.74 -2.63 2.33 3.00 -1.22 -4.91 117.38 113.82 1mxl n GLN 11 Ca -0.01 -1.51 -0.40 0.00 -0.01 0.00 0.00 57.00 55.07 1mxl n GLN 11 Cb 0.52 -1.77 -0.05 0.00 0.00 0.00 0.00 30.24 28.94 1mxl n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1mxl s LEU 12 N -1.30 4.59 0.47 1.08 1.43 0.22 -5.05 118.68 120.13 1mxl s LEU 12 Ca 0.26 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 1mxl s LEU 12 Cb 0.19 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1mxl s LEU 12 CO 0.09 0.01 0.68 0.42 0.23 0.00 0.00 176.35 177.79 1mxl s THR 13 N -1.04 3.59 0.23 5.49 -4.23 -1.26 -4.87 115.64 113.55 1mxl s THR 13 Ca 0.43 -0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 60.28 1mxl s THR 13 Cb -0.28 -3.32 0.19 0.00 1.34 0.00 0.00 72.50 70.43 1mxl s THR 13 CO 0.35 -0.22 1.83 -0.08 -0.54 0.00 0.00 174.62 175.97 1mxl h GLU 14 N 0.35 0.84 0.53 3.99 4.57 -1.99 0.02 114.58 122.89 1mxl h GLU 14 Ca -0.45 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 1mxl h GLU 14 Cb 1.27 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1mxl h GLU 14 CO 0.55 0.56 -0.26 0.93 -1.18 0.00 0.00 179.01 179.61 1mxl h GLU 15 N 0.86 -0.69 -0.55 1.92 5.08 -1.99 -2.97 114.58 116.25 1mxl h GLU 15 Ca 0.35 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.87 1mxl h GLU 15 Cb 0.20 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 1mxl h GLU 15 CO -0.18 -0.46 -0.22 0.37 -1.00 0.00 0.00 179.01 177.52 1mxl h GLN 16 N -1.12 -0.08 -0.85 2.33 5.75 -1.93 0.11 115.11 119.31 1mxl h GLN 16 Ca -0.07 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 58.64 1mxl h GLN 16 Cb 0.55 0.02 -0.13 0.00 1.07 0.00 0.00 27.48 28.99 1mxl h GLN 16 CO 0.12 -0.06 0.29 0.87 -2.65 0.00 0.00 178.83 177.40 1mxl h LYS 17 N -0.09 0.29 0.00 1.69 1.57 -1.04 1.23 116.57 120.22 1mxl h LYS 17 Ca 0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1mxl h LYS 17 Cb 0.48 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1mxl h LYS 17 CO -0.61 0.19 0.00 -0.91 -0.57 0.00 0.00 179.45 177.56 1mxl h ASN 18 N 0.30 0.00 0.42 0.86 2.35 -0.64 -2.93 115.58 115.94 1mxl h ASN 18 Ca 0.52 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.25 1mxl h ASN 18 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1mxl h ASN 18 CO -0.57 0.00 -0.20 -0.08 -1.65 0.00 0.00 177.43 174.93 1mxl h GLU 19 N 0.00 -0.54 -0.24 0.81 4.22 0.23 -3.14 114.58 115.92 1mxl h GLU 19 Ca 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1mxl h GLU 19 Cb 0.46 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1mxl h GLU 19 CO 0.00 -0.31 0.12 0.27 -2.18 0.00 0.00 179.01 176.91 1mxl h PHE 20 N -1.11 0.34 -1.40 0.92 -5.15 -1.55 -2.13 116.94 106.86 1mxl h PHE 20 Ca -0.06 -0.01 0.42 0.00 -0.20 0.00 0.00 57.97 58.11 1mxl h PHE 20 Cb 0.48 -0.11 -0.08 0.00 0.22 0.00 0.00 35.95 36.46 1mxl h PHE 20 CO 0.01 0.32 0.97 0.87 -2.00 0.00 0.00 178.31 178.48 1mxl h LYS 21 N 0.26 0.08 0.20 6.09 1.57 -1.63 0.14 116.57 123.28 1mxl h LYS 21 Ca 0.08 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1mxl h LYS 21 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1mxl h LYS 21 CO -0.01 0.05 -0.10 0.00 -0.57 0.00 0.00 179.45 178.82 1mxl h ALA 22 N 1.39 -0.27 -0.98 3.86 0.00 -1.33 -2.62 119.26 119.31 1mxl h ALA 22 Ca 0.73 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.55 1mxl h ALA 22 Cb 2.62 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 20.43 1mxl h ALA 22 CO -0.16 -0.41 0.61 0.00 0.00 0.00 0.00 179.25 179.29 1mxl h ALA 23 N -0.15 1.46 0.04 0.00 0.00 -0.74 -2.08 119.26 117.78 1mxl h ALA 23 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mxl h ALA 23 Cb 0.51 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mxl h ALA 23 CO 0.05 0.23 -0.03 0.35 0.00 0.00 0.00 179.25 179.84 1mxl h PHE 24 N 0.98 -0.09 -0.76 0.00 3.04 -1.22 -0.73 116.94 118.17 1mxl h PHE 24 Ca 0.48 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.60 1mxl h PHE 24 Cb 0.45 0.03 -0.12 0.00 2.56 0.00 0.00 35.95 38.87 1mxl h PHE 24 CO -0.01 -0.05 0.15 -0.44 -2.02 0.00 0.00 178.31 175.93 1mxl h ASP 25 N -0.08 -0.07 0.57 0.41 5.19 -0.98 0.19 116.42 121.65 1mxl h ASP 25 Ca 0.00 0.16 -0.13 0.00 -0.62 0.00 0.00 57.03 56.44 1mxl h ASP 25 Cb 0.08 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1mxl h ASP 25 CO -0.01 -0.09 -0.62 0.40 -3.12 0.00 0.00 179.24 175.80 1mxl h ILE 26 N 0.22 1.43 0.00 0.35 5.03 -1.31 -2.90 117.51 120.33 1mxl h ILE 26 Ca 0.43 -2.10 0.00 0.00 -0.12 0.00 0.00 64.86 63.07 1mxl h ILE 26 Cb 0.76 2.12 0.00 0.00 -3.03 0.00 0.00 36.82 36.68 1mxl h ILE 26 CO -0.56 0.60 0.00 -0.26 -0.68 0.00 0.00 178.15 177.25 1mxl h PHE 27 N 0.04 0.00 -0.13 1.37 -1.00 0.91 -1.58 116.94 116.55 1mxl h PHE 27 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1mxl h PHE 27 Cb 1.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 1mxl h PHE 27 CO 0.00 0.00 -0.07 1.33 -1.61 0.00 0.00 178.31 177.96 1mxl n VAL 28 N -3.01 2.14 -1.54 -0.55 0.24 -1.01 -3.53 118.33 111.08 1mxl n VAL 28 Ca -0.02 -2.34 -0.29 0.00 -2.04 0.00 0.00 64.34 59.65 1mxl n VAL 28 Cb 0.12 -0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 32.16 1mxl n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1mxl n LEU 29 N -1.08 1.49 0.00 1.34 4.77 -0.60 0.39 117.00 123.32 1mxl n LEU 29 Ca 0.20 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1mxl n LEU 29 Cb 0.78 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1mxl n LEU 29 CO 0.07 -1.71 0.00 0.61 -1.33 0.00 0.00 177.39 175.03 1mxl n GLY 30 N 6.26 2.13 3.10 -0.72 0.00 -1.26 -4.90 105.19 109.81 1mxl n GLY 30 Ca 0.47 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 1mxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl n ALA 31 N -0.51 -2.84 -0.01 4.61 0.00 0.16 -4.96 120.51 116.96 1mxl n ALA 31 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 53.44 52.27 1mxl n ALA 31 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1mxl n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mxl n GLU 32 N -0.90 2.91 0.00 0.00 2.13 -1.26 -4.73 120.64 118.78 1mxl n GLU 32 Ca 0.02 -0.01 0.01 0.00 0.66 0.00 0.00 57.16 57.84 1mxl n GLU 32 Cb 0.52 -1.07 -0.01 0.00 0.27 0.00 0.00 31.44 31.16 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1mxl n ASP 33 N -2.01 0.34 -0.15 4.31 2.03 -1.26 -5.01 116.55 114.80 1mxl n ASP 33 Ca -0.04 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.60 1mxl n ASP 33 Cb 0.49 0.78 0.00 0.00 -0.72 0.00 0.00 41.12 41.67 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mxl n GLY 34 N 0.84 0.53 2.62 0.27 0.00 -1.26 -5.11 105.19 103.08 1mxl n GLY 34 Ca 0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1mxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ILE 36 N -2.97 2.59 -0.15 0.00 1.01 -0.52 -4.51 121.20 116.64 1mxl s ILE 36 Ca 0.26 -2.08 0.07 0.00 0.00 0.00 0.00 60.65 58.90 1mxl s ILE 36 Cb 0.01 -2.29 0.21 0.00 0.01 0.00 0.00 42.46 40.40 1mxl s ILE 36 CO 0.19 -0.22 1.24 -0.24 0.00 0.00 0.00 174.94 175.91 1mxl n SER 37 N -0.11 -1.02 0.00 3.58 2.88 -1.26 -3.31 113.62 114.38 1mxl n SER 37 Ca -0.10 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 1mxl n SER 37 Cb 0.57 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1mxl n SER 37 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1mxl n THR 38 N -0.65 0.00 -0.33 2.46 -2.24 -1.26 -4.47 114.28 107.79 1mxl n THR 38 Ca -0.21 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.72 1mxl n THR 38 Cb 0.80 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.41 1mxl n THR 38 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1mxl h LYS 39 N 0.00 0.64 0.00 -0.78 3.64 -1.95 0.99 116.57 119.11 1mxl h LYS 39 Ca 0.00 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1mxl h LYS 39 Cb 0.00 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1mxl h LYS 39 CO 0.00 0.43 -1.22 0.93 -2.27 0.00 0.00 179.45 177.32 1mxl h GLU 40 N 0.66 0.00 0.00 1.90 4.39 -1.78 -3.30 114.58 116.45 1mxl h GLU 40 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1mxl h GLU 40 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1mxl h GLU 40 CO -0.33 0.23 -0.03 1.25 -1.16 0.00 0.00 179.01 178.97 1mxl h LEU 41 N 0.00 0.00 -1.99 1.33 7.12 -0.77 -3.31 115.31 117.70 1mxl h LEU 41 Ca -0.11 0.00 0.37 0.00 0.13 0.00 0.00 57.88 58.27 1mxl h LEU 41 Cb 1.42 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.50 1mxl h LEU 41 CO 0.04 0.42 0.94 1.23 -0.13 0.00 0.00 178.44 180.93 1mxl h GLY 42 N -0.80 0.00 -0.10 3.75 0.00 0.65 0.41 103.07 106.98 1mxl h GLY 42 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.61 1mxl h GLY 42 CO 0.00 0.00 0.71 1.70 0.00 0.00 0.00 176.54 178.95 1mxl h LYS 43 N 0.00 0.20 0.00 4.80 3.64 -1.64 0.29 116.57 123.86 1mxl h LYS 43 Ca 0.61 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.74 1mxl h LYS 43 Cb 2.48 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 34.22 1mxl h LYS 43 CO -0.01 0.13 -1.35 0.28 -2.27 0.00 0.00 179.45 176.23 1mxl h VAL 44 N 0.20 1.10 -0.59 2.00 2.07 -0.36 -3.32 116.25 117.35 1mxl h VAL 44 Ca 0.54 -2.83 0.05 0.00 0.82 0.00 0.00 66.70 65.28 1mxl h VAL 44 Cb 1.74 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 34.00 1mxl h VAL 44 CO -0.14 0.63 0.39 0.24 0.02 0.00 0.00 177.57 178.71 1mxl h MET 45 N 0.00 0.60 0.00 1.57 2.86 -0.42 0.75 114.93 120.29 1mxl h MET 45 Ca -0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1mxl h MET 45 Cb 1.84 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.36 1mxl h MET 45 CO 0.09 0.40 0.00 0.07 1.06 0.00 0.00 176.91 178.53 1mxl h ARG 46 N 0.62 0.00 0.10 1.72 0.11 -1.01 1.55 114.38 117.47 1mxl h ARG 46 Ca 0.25 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.02 1mxl h ARG 46 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 1mxl h ARG 46 CO -0.07 0.00 -1.58 0.52 0.10 0.00 0.00 179.97 178.93 1mxl h MET 47 N 0.00 0.22 -0.00 0.08 2.86 -1.02 -3.29 114.93 113.78 1mxl h MET 47 Ca 0.00 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1mxl h MET 47 Cb 0.70 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1mxl h MET 47 CO 0.00 1.06 -0.02 1.28 1.06 0.00 0.00 176.91 180.29 1mxl n LEU 48 N -3.41 0.04 -0.04 1.22 4.77 -0.64 -4.87 117.00 114.09 1mxl n LEU 48 Ca -0.18 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1mxl n LEU 48 Cb 1.04 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1mxl n LEU 48 CO 0.49 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1mxl n GLY 49 N 1.32 1.23 3.45 -0.72 0.00 -1.08 -5.10 105.19 104.29 1mxl n GLY 49 Ca 0.13 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1mxl n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mxl s GLN 50 N -0.72 1.82 -0.33 1.61 0.74 0.53 -4.99 119.66 118.33 1mxl s GLN 50 Ca 0.00 -1.76 -0.09 0.00 0.05 0.00 0.00 55.36 53.57 1mxl s GLN 50 Cb 0.00 0.42 0.20 0.00 1.10 0.00 0.00 33.01 34.73 1mxl s GLN 50 CO 0.00 -0.74 1.10 1.21 -0.55 0.00 0.00 175.29 176.32 1mxl s ASN 51 N -3.24 -0.23 0.38 6.67 3.04 -1.26 -1.78 114.94 118.53 1mxl s ASN 51 Ca 0.32 -0.21 -0.25 0.00 0.04 0.00 0.00 52.86 52.76 1mxl s ASN 51 Cb 0.00 0.30 -0.09 0.00 -1.54 0.00 0.00 41.25 39.92 1mxl s ASN 51 CO 0.20 -0.01 1.12 -2.16 -3.04 0.00 0.00 177.10 173.20 1mxl s PRO 52 N 1.38 4.18 1.19 0.43 0.04 -1.26 -5.01 135.00 135.95 1mxl s PRO 52 Ca 0.20 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 1mxl s PRO 52 Cb 0.10 -2.70 0.25 0.00 0.04 0.00 0.00 34.50 32.18 1mxl s PRO 52 CO -0.13 -0.18 0.69 0.25 0.04 0.00 0.00 177.00 177.67 1mxl n THR 53 N 0.18 0.00 0.16 1.26 -2.24 -1.26 -4.70 114.28 107.68 1mxl n THR 53 Ca 0.04 -0.42 0.01 0.00 -2.27 0.00 0.00 64.05 61.41 1mxl n THR 53 Cb 0.47 -0.87 0.25 0.00 -2.10 0.00 0.00 70.33 68.08 1mxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1mxl h PRO 54 N -2.62 0.00 0.00 -0.78 0.13 -2.01 -2.25 132.00 124.47 1mxl h PRO 54 Ca -0.60 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1mxl h PRO 54 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1mxl h PRO 54 CO 0.45 0.52 -0.10 1.05 -0.23 0.00 0.00 178.00 179.69 1mxl h GLU 55 N 0.00 0.00 0.09 0.86 4.11 -2.03 -3.26 114.58 114.36 1mxl h GLU 55 Ca -0.01 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 1mxl h GLU 55 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1mxl h GLU 55 CO 0.07 0.10 -1.61 0.93 0.07 0.00 0.00 179.01 178.57 1mxl h GLU 56 N 0.00 0.19 -0.43 1.06 5.08 -1.83 -3.36 114.58 115.30 1mxl h GLU 56 Ca -0.00 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1mxl h GLU 56 Cb 1.01 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1mxl h GLU 56 CO 0.01 1.00 0.21 -0.07 -1.00 0.00 0.00 179.01 179.17 1mxl h LEU 57 N 0.05 0.31 -1.71 1.33 3.38 -1.45 -0.61 115.31 116.61 1mxl h LEU 57 Ca -0.27 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.02 1mxl h LEU 57 Cb 2.01 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.68 1mxl h LEU 57 CO 0.13 0.22 0.93 -0.61 0.09 0.00 0.00 178.44 179.20 1mxl h GLN 58 N 0.43 0.00 -0.58 1.13 -0.00 -1.70 0.87 115.11 115.26 1mxl h GLN 58 Ca 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.78 1mxl h GLN 58 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.55 1mxl h GLN 58 CO -0.13 0.00 0.14 1.49 0.00 0.00 0.00 178.83 180.33 1mxl h GLU 59 N 0.00 0.90 0.00 1.69 4.57 -1.30 0.28 114.58 120.73 1mxl h GLU 59 Ca 0.49 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.45 1mxl h GLU 59 Cb 2.34 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 30.80 1mxl h GLU 59 CO -0.01 0.81 -0.15 0.52 -1.18 0.00 0.00 179.01 179.00 1mxl h MET 60 N 0.87 0.00 0.09 1.92 2.86 0.68 -0.89 114.93 120.44 1mxl h MET 60 Ca 0.19 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.52 1mxl h MET 60 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1mxl h MET 60 CO -0.00 0.15 -1.66 0.82 1.06 0.00 0.00 176.91 177.28 1mxl h ILE 61 N 0.00 0.79 0.00 -1.22 5.03 -1.19 -3.34 117.51 117.58 1mxl h ILE 61 Ca -0.00 -2.30 0.00 0.00 -0.12 0.00 0.00 64.86 62.44 1mxl h ILE 61 Cb 0.68 2.46 0.00 0.00 -3.03 0.00 0.00 36.82 36.93 1mxl h ILE 61 CO 0.02 0.68 0.00 0.47 -0.68 0.00 0.00 178.15 178.64 1mxl n ASP 62 N -3.86 0.22 0.17 1.72 9.92 0.90 -2.09 116.55 123.53 1mxl n ASP 62 Ca -0.31 0.53 0.13 0.00 -0.53 0.00 0.00 54.79 54.62 1mxl n ASP 62 Cb 0.91 -0.59 0.55 0.00 -0.64 0.00 0.00 41.12 41.35 1mxl n ASP 62 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1mxl h GLU 63 N 0.00 0.00 0.00 -1.24 5.08 -1.28 -3.24 114.58 113.90 1mxl h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mxl h GLU 63 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1mxl h GLU 63 CO 0.00 0.00 -0.16 1.33 -1.00 0.00 0.00 179.01 179.18 1mxl n VAL 64 N -2.48 0.00 -2.30 3.13 0.24 -1.14 -5.00 118.33 110.79 1mxl n VAL 64 Ca 0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.97 1mxl n VAL 64 Cb 0.25 0.73 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 1mxl n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mxl s ASP 65 N -0.32 5.84 -0.00 -1.34 -1.08 -0.89 -4.74 116.67 114.15 1mxl s ASP 65 Ca 0.00 -1.44 0.03 0.00 -0.52 0.00 0.00 52.55 50.61 1mxl s ASP 65 Cb 0.00 -2.57 0.07 0.00 -1.46 0.00 0.00 42.92 38.96 1mxl s ASP 65 CO 0.00 -2.15 1.05 1.21 0.52 0.00 0.00 175.17 175.80 1mxl n GLU 66 N 8.66 1.20 0.00 4.34 2.13 -1.26 -3.24 120.64 132.47 1mxl n GLU 66 Ca 0.41 -0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1mxl n GLU 66 Cb 0.48 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1mxl n ASP 67 N -0.25 0.42 -3.30 4.31 5.68 -1.26 -5.01 116.55 117.15 1mxl n ASP 67 Ca 0.03 -0.88 -0.23 0.00 -0.50 0.00 0.00 54.79 53.21 1mxl n ASP 67 Cb 0.08 0.08 0.06 0.00 -1.14 0.00 0.00 41.12 40.20 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mxl n GLY 68 N 0.08 -0.53 0.07 6.12 0.00 -1.20 -4.87 105.19 104.86 1mxl n GLY 68 Ca 0.00 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1mxl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mxl n SER 69 N -2.76 0.86 -0.91 1.61 3.41 -1.26 -4.94 113.62 109.63 1mxl n SER 69 Ca -0.05 -0.69 -0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1mxl n SER 69 Cb 0.59 0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 65.03 1mxl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mxl n GLY 70 N 1.48 1.06 3.21 5.00 0.00 -1.26 -4.98 105.19 109.69 1mxl n GLY 70 Ca 0.06 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1mxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mxl s THR 71 N -2.44 0.07 0.00 2.61 -4.23 -1.26 -4.77 115.64 105.63 1mxl s THR 71 Ca 0.00 -0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1mxl s THR 71 Cb 0.00 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1mxl s THR 71 CO 0.00 -0.33 0.09 -0.69 -0.54 0.00 0.00 174.62 173.14 1mxl s VAL 72 N -1.70 4.74 0.42 2.29 1.01 -1.21 -4.81 120.40 121.15 1mxl s VAL 72 Ca -0.11 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1mxl s VAL 72 Cb -0.04 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1mxl s VAL 72 CO 0.01 0.33 0.03 -1.81 0.00 0.00 0.00 175.10 173.66 1mxl s ASP 73 N -1.81 3.97 0.52 3.32 1.11 -1.26 -1.44 116.67 121.08 1mxl s ASP 73 Ca 0.24 -1.37 0.27 0.00 0.18 0.00 0.00 52.55 51.87 1mxl s ASP 73 Cb -0.12 -0.30 1.49 0.00 1.07 0.00 0.00 42.92 45.07 1mxl s ASP 73 CO 0.15 -0.51 1.82 0.15 1.18 0.00 0.00 175.17 177.96 1mxl h PHE 74 N 1.68 0.00 0.00 4.23 3.04 -2.00 -0.01 116.94 123.88 1mxl h PHE 74 Ca -0.44 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.37 1mxl h PHE 74 Cb 1.25 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.74 1mxl h PHE 74 CO 0.81 0.00 -0.79 0.22 -2.02 0.00 0.00 178.31 176.53 1mxl h ASP 75 N 0.00 0.01 0.45 0.41 1.82 -1.97 -3.35 116.42 113.80 1mxl h ASP 75 Ca 0.00 -0.70 -0.07 0.00 -0.39 0.00 0.00 57.03 55.87 1mxl h ASP 75 Cb 0.39 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1mxl h ASP 75 CO 0.00 1.31 -0.32 -0.33 -1.61 0.00 0.00 179.24 178.29 1mxl h GLU 76 N -0.98 0.00 -0.04 0.28 5.08 -1.71 -3.13 114.58 114.08 1mxl h GLU 76 Ca -0.22 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1mxl h GLU 76 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1mxl h GLU 76 CO -0.13 0.32 -0.09 0.35 -1.00 0.00 0.00 179.01 178.46 1mxl h PHE 77 N 0.00 -0.23 -0.58 4.33 3.57 -1.17 -2.13 116.94 120.73 1mxl h PHE 77 Ca -0.00 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1mxl h PHE 77 Cb 0.63 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 1mxl h PHE 77 CO 0.00 -0.14 0.18 -0.07 -2.23 0.00 0.00 178.31 176.05 1mxl h LEU 78 N -0.14 0.13 -0.90 0.59 3.38 -1.67 -1.46 115.31 115.25 1mxl h LEU 78 Ca 0.05 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1mxl h LEU 78 Cb 0.21 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1mxl h LEU 78 CO -0.12 0.08 0.59 0.58 0.09 0.00 0.00 178.44 179.66 1mxl h VAL 79 N 0.34 1.19 0.00 1.22 2.07 -1.54 -1.48 116.25 118.05 1mxl h VAL 79 Ca 0.30 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1mxl h VAL 79 Cb 0.39 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1mxl h VAL 79 CO -0.33 0.21 -0.03 -0.03 0.02 0.00 0.00 177.57 177.41 1mxl h MET 80 N 1.17 0.00 0.01 1.57 -1.53 -0.62 -2.90 114.93 112.62 1mxl h MET 80 Ca 0.34 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.60 1mxl h MET 80 Cb -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 30.99 1mxl h MET 80 CO -0.10 0.03 -0.00 0.52 0.14 0.00 0.00 176.91 177.50 1mxl h MET 81 N 0.00 -0.01 -0.87 0.39 2.07 -0.99 -3.32 114.93 112.19 1mxl h MET 81 Ca -0.00 0.00 0.18 0.00 -2.07 0.00 0.00 59.70 57.81 1mxl h MET 81 Cb 0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 31.60 29.63 1mxl h MET 81 CO 0.00 0.82 -0.19 0.28 1.07 0.00 0.00 176.91 178.89 1mxl h VAL 82 N -0.88 0.13 -0.54 -2.22 2.07 -1.26 0.29 116.25 113.85 1mxl h VAL 82 Ca -0.00 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1mxl h VAL 82 Cb 0.83 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 1mxl h VAL 82 CO 0.00 0.00 -0.08 0.03 0.02 0.00 0.00 177.57 177.54 1mxl h ARG 83 N 0.01 0.04 0.00 1.57 3.08 -1.65 0.49 114.38 117.92 1mxl h ARG 83 Ca 0.43 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 1mxl h ARG 83 Cb 0.69 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1mxl h ARG 83 CO -0.89 0.03 -0.00 0.00 -1.07 0.00 0.00 179.97 178.04 1mxl s MET 85 N -3.88 3.79 0.25 0.00 -1.94 0.17 -4.86 119.30 112.82 1mxl s MET 85 Ca -0.02 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.02 1mxl s MET 85 Cb 0.11 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1mxl s MET 85 CO 0.49 0.62 0.00 1.17 -0.01 0.00 0.00 175.02 177.28 1mxl n LYS 86 N 2.35 -4.99 -4.20 2.03 0.00 -1.26 -4.86 118.16 107.22 1mxl n LYS 86 Ca -0.16 3.59 -0.28 0.00 0.00 0.00 0.00 58.31 61.45 1mxl n LYS 86 Cb 0.53 -3.86 -0.04 0.00 0.00 0.00 0.00 35.03 31.67 1mxl n LYS 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1mxl s ASP 87 N -0.99 4.44 0.43 3.14 -4.77 -1.26 -4.90 116.67 112.77 1mxl s ASP 87 Ca 0.00 -1.34 0.07 0.00 -3.30 0.00 0.00 52.55 47.98 1mxl s ASP 87 Cb 0.00 0.30 -0.02 0.00 -1.09 0.00 0.00 42.92 42.11 1mxl s ASP 87 CO 0.00 -0.93 0.36 -0.62 0.70 0.00 0.00 175.17 174.67 1mxl s ASP 88 N -4.09 4.91 0.00 2.11 2.15 -1.26 -5.24 116.67 115.24 1mxl s ASP 88 Ca 0.26 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.39 1mxl s ASP 88 Cb -0.00 -0.44 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 1mxl s ASP 88 CO 0.16 -0.69 0.00 -0.24 -0.17 0.00 0.00 175.17 174.22